7Q86

Crystal structure of human peroxisomal acyl-Co-A oxidase 1a, FAD-bound-form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-05-01
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	74.961, 124.063, 142.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.840 - 2.090
R-factor	0.19
Rwork	0.187
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7q84
RMSD bond length	0.012
RMSD bond angle	1.779
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.840	2.165
High resolution limit [Å]	2.090	2.090
Rmerge	0.102	1.207
Rmeas	0.110	0.110
Rpim	0.040	0.040
Number of reflections	79500	7854
<I/σ(I)>	16.77
Completeness [%]	99.8	99.97
Redundancy	7.3	7.4
CC(1/2)	0.999	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	12.5 % PEG 8000, 0.09 M ammonium sulfate, 0.05 M sodium cacodylate (pH 6.0) + Soaking in 0.5 mM FAD